Compound Detail
CHEMBL4171732
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Basic Information
| ChEMBL ID | CHEMBL4171732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UINAZEUJWWJECT-IPWVHJGXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
204.6
MW (Da)
0.64
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vibrio harveyi CHEMBL613174 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vibrio harveyi | IC50 | = | 5600.0 | nM | 5.25 | Antimicrobial activity against Vibrio harveyi BB120 assessed as bacterial growth... | 37011553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29215273 | 10.1021/acs.jnatprod.7b00734 | Keap1/Nrf2 | 27 |
| 29215273 | 10.1021/acs.jnatprod.7b00734 | Mus musculus | 4 |
| 29215273 | 10.1021/acs.jnatprod.7b00734 | No relevant target | 2 |
| 29215273 | 10.1021/acs.jnatprod.7b00734 | MCF7 | 1 |
| 37011553 | 10.1016/j.ejmech.2023.115330 | Vibrio harveyi | 1 |
Data from ChEMBL 36 via Core Engine